CID 135408600

Salicylaldehyde, 5-bromo-, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula
C12H9BrN4O3
SMILES
C1=CC(=C(C=C1Br)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H9BrN4O3/c13-9-1-3-11(18)8(5-9)6-15-16-12-4-2-10(7-14-12)17(19)20/h1-7,18H,(H,14,16)/b15-6-
InChIKey
ZQIADEYGHBCJQP-UUASQNMZSA-N
Compound name
4-bromo-2-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.9858 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.993076 162.0
[M+Na]+ 358.975018 171.1
[M-H]- 334.978524 170.0
[M+NH4]+ 354.019623 176.4
[M+K]+ 374.948958 155.0
[M+H-H2O]+ 318.983060 162.5
[M+HCOO]- 380.984001 186.0
[M+CH3COO]- 394.999651 202.8
[M+Na-2H]- 356.960466 171.8
[M]+ 335.98525142 178.9
[M]- 335.98634858 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.